input word = C00042546

Metabolite InformationStructural formula
Name Gelomulide B
Formula C22H28O6
Mw 388.18858863
CAS RN 122537-60-4
C_ID C00042546 ,
InChIKey WDPSZJMRQVJIBN-SHBNWARENA-N
InChICode InChI=1S/C22H28O6/c1-10-14-16-21(26-16)9-6-12-19(3,4)13(25-11(2)23)7-8-20(12,5)15(21)17-22(14,27-17)28-18(10)24/h12-13,15-17H,6-9H2,1-5H3/t12-,13+,15+,16-,17+,20-,21+,22+/m1/s1
SMILES C1C[C@@]2([C@@H](C([C@H]1OC(=O)C)(C)C)CC[C@]13[C@H]2[C@H]2[C@@]4(C(=C(C(=O)O4)C)[C@H]1O3)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeGelonium multiflorum A. Ref.
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